SCHEMBL30477203

SCHEMBL30477203

N#Cc1ccccc1-c1cc(-c2ccncc2)cn(-c2ccccc2)c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.71
GRIA1 P42261 1/20 0.71
GRIA3 P42263 1/20 0.71
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
CDC7 O00311 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
PDE5A O76074 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1890233 1.00 PDE4D (0.71) PDE4DGRIA1GRIA3KDM4EALDH1A1
SCHEMBL1885129 0.91 GRIA1 (0.72) PDE4DGRIA1GRIA3KDM4EALDH1A1
SCHEMBL1887365 0.88 GRIA1 (0.65) PDE4DGRIA1GRIA3KDM4EALDH1A1
SCHEMBL1877319 0.87 GRIA1 (0.73) PDE4DGRIA1GRIA3KDM4EALDH1A1
SCHEMBL1881526 0.87 GRIA1 (0.67) PDE4DGRIA1GRIA3KDM4EALDH1A1
SCHEMBL30477202 0.87 GRIA1 (0.67) PDE4DGRIA1GRIA3KDM4EALDH1A1
SCHEMBL1887008 0.87 GRIA1 (0.67) PDE4DGRIA1GRIA3KDM4EALDH1A1
SCHEMBL1889139 0.87 GRIA1 (0.67) PDE4DGRIA1GRIA3KDM4EALDH1A1
SCHEMBL1882537 0.85 GRIA1 (0.79) PDE4DGRIA1GRIA3KDM4EALDH1A1
SCHEMBL1881962 0.85 GRIA1 (0.78) PDE4DGRIA1GRIA3CDC7LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116429937-A Detection method for related substances in pirenzepine bulk drug and application thereof 山东达因海洋生物制药股份有限公司 2023-07-14 CN claimed